N-(4-ACETYLAMINOBENZENESULFONYL)ERYTHROMYCYLAMINE

57049-06-6

MFCD01729172

C45 H77 N3 O15 S

932.175

InChI=1S/C45H77N3O15S/c1-15-33-45(11,55)38(51)25(4)35(47-64(56,57)31-18-16-30(17-19-31)46-29(8)49)23(2)21-43(9,54)40(63-42-36(50)32(48(12)13)20-24(3)59-42)26(5)37(27(6)41(53)61-33)62-34-22-44(10,58-14)39(52)28(7)60-34/h16-19,23-28,32-40,42,47,50-52,54-55H,15,20-22H2,1-14H3,(H,46,49)/t23-,24-,25+,26+,27-,28+,32+,33-,34+,35+,36-,37+,38-,39+,40-,42+,43-,44-,45-/m1/s1

InChIKey=VFHRYYRWSKRFTO-YSUKLGTKSA-N

CC[C@@H]1[C@@]([C@@H]([C@H]([C@H]([C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)OC)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)O)C)NS(=O)(=O)c4ccc(cc4)NC(=O)C)C)O)(C)O

H bond donor:7

H bond acceptor:18

XLogP3:4.0

Bulk/Fine:F